(5R)-3,5-diethyl-5-[(E,2R)-2-ethyl-5-oxohex-3-enyl]furan-2-one

C16H24O3 — CID 71451878

IUPAC(5R)-3,5-diethyl-5-[(E,2R)-2-ethyl-5-oxohex-3-enyl]furan-2-one
SMILESCCC1=C[C@@](CC)(C[C@H](/C=C/C(C)=O)CC)OC1=O
InChIInChI=1S/C16H24O3/c1-5-13(9-8-12(4)17)10-16(7-3)11-14(6-2)15(18)19-16/h8-9,11,13H,5-7,10H2,1-4H3/b9-8+/t13-,16+/m0/s1
InChIKeyYKBFZCLRVPKNRE-FTJFNGAWSA-N
MW264.36 g/mol
LogP3.59
Rot. Bonds7

About (5R)-3,5-diethyl-5-[(E,2R)-2-ethyl-5-oxohex-3-enyl]furan-2-one

(5R)-3,5-diethyl-5-[(E,2R)-2-ethyl-5-oxohex-3-enyl]furan-2-one (PubChem CID 71451878) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is (5R)-3,5-diethyl-5-[(E,2R)-2-ethyl-5-oxohex-3-enyl]furan-2-one.

Molecular Properties

Compound Name(5R)-3,5-diethyl-5-[(E,2R)-2-ethyl-5-oxohex-3-enyl]furan-2-one
PubChem CID71451878
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name(5R)-3,5-diethyl-5-[(E,2R)-2-ethyl-5-oxohex-3-enyl]furan-2-one
SMILESCCC1=C[C@@](CC)(C[C@H](/C=C/C(C)=O)CC)OC1=O
InChIInChI=1S/C16H24O3/c1-5-13(9-8-12(4)17)10-16(7-3)11-14(6-2)15(18)19-16/h8-9,11,13H,5-7,10H2,1-4H3/b9-8+/t13-,16+/m0/s1
InChIKeyYKBFZCLRVPKNRE-FTJFNGAWSA-N
XLogP3.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-3,5-diethyl-5-[(E,2R)-2-ethyl-5-oxohex-3-enyl]furan-2-one?
The IUPAC name of (5R)-3,5-diethyl-5-[(E,2R)-2-ethyl-5-oxohex-3-enyl]furan-2-one (CID 71451878) is (5R)-3,5-diethyl-5-[(E,2R)-2-ethyl-5-oxohex-3-enyl]furan-2-one.
What is the SMILES notation for (5R)-3,5-diethyl-5-[(E,2R)-2-ethyl-5-oxohex-3-enyl]furan-2-one?
The canonical SMILES for (5R)-3,5-diethyl-5-[(E,2R)-2-ethyl-5-oxohex-3-enyl]furan-2-one is CCC1=C[C@@](CC)(C[C@H](/C=C/C(C)=O)CC)OC1=O.
What is the InChIKey of (5R)-3,5-diethyl-5-[(E,2R)-2-ethyl-5-oxohex-3-enyl]furan-2-one?
The InChIKey is YKBFZCLRVPKNRE-FTJFNGAWSA-N. The full InChI is InChI=1S/C16H24O3/c1-5-13(9-8-12(4)17)10-16(7-3)11-14(6-2)15(18)19-16/h8-9,11,13H,5-7,10H2,1-4H3/b9-8+/t13-,16+/m0/s1.
What are the key properties of (5R)-3,5-diethyl-5-[(E,2R)-2-ethyl-5-oxohex-3-enyl]furan-2-one?
(5R)-3,5-diethyl-5-[(E,2R)-2-ethyl-5-oxohex-3-enyl]furan-2-one has a molecular weight of 264.36 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,5-diethyl-5-[(E,2R)-2-ethyl-5-oxohex-3-enyl]furan-2-one is sourced from PubChem (CID 71451878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).